(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid

(2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid

CAS: 1272724-15-8

Formula: C11H15NO4

SMILES: COC1=CC(OC)=CC(C[C@H](N)C(O)=O)=C1

IUPAC: (2S)-2-amino-3-(3,5-dimethoxyphenyl)propanoic acid

InChI: InChI=1S/C11H15NO4/c1-15-8-3-7(4-9(6-8)16-2)5-10(12)11(13)14/h3-4,6,10H,5,12H2,1-2H3,(H,13,14)/t10-/m0/s1

Composition: C (58.66%), H (6.71%), N (6.22%), O (28.41%)

Molar Mass: 225.244

Atom Count: 31

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	225.100107967
Formal Charge	0
FSP3	0.36
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	2
InChIKey	RGJFWLUOTAIYGQ-JTQLQIEISA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.04
Topological Polar Surface Area	81.78
Polarizability	22.96
Ring Count	1
Rotatable Bond Count	5

Suppliers

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<7 Days	1272724-15-8		$155.52-$344.64$155.52$233.28$344.64